5-(fluoromethylsulfonyl)pentan-2-amine

C6H14FNO2S — CID 84718787

IUPAC5-(fluoromethylsulfonyl)pentan-2-amine
SMILESCC(N)CCCS(=O)(=O)CF
InChIInChI=1S/C6H14FNO2S/c1-6(8)3-2-4-11(9,10)5-7/h6H,2-5,8H2,1H3
InChIKeyVMSBHMLKBZHNEW-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.46
Rot. Bonds5

About 5-(fluoromethylsulfonyl)pentan-2-amine

5-(fluoromethylsulfonyl)pentan-2-amine (PubChem CID 84718787) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-(fluoromethylsulfonyl)pentan-2-amine.

Molecular Properties

Compound Name5-(fluoromethylsulfonyl)pentan-2-amine
PubChem CID84718787
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC Name5-(fluoromethylsulfonyl)pentan-2-amine
SMILESCC(N)CCCS(=O)(=O)CF
InChIInChI=1S/C6H14FNO2S/c1-6(8)3-2-4-11(9,10)5-7/h6H,2-5,8H2,1H3
InChIKeyVMSBHMLKBZHNEW-UHFFFAOYSA-N
XLogP0.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methanesulfonylbutan-2-amine
CID 23562465
Methylsulfonylbutylamine
CID 191144
3-Amino-1$l^{6}-thiane-1,1-dione
CID 14024577
1-Methanesulfonylpropan-2-amine hydrochloride
CID 54593155
(1r,3r)-3-Methanesulfonylcyclobutan-1-amine hydrochloride
CID 72207484
4-Methanesulfonyl-butylamine
CID 191145
1-(Ethanesulfonyl)propan-2-amine hydrochloride
CID 54593157
(R)-3-Aminotetrahydro-2H-thiopyran 1,1-dioxide
CID 52420765
2-Amino-4-methylsulfonyl-butane-thiol
CID 85777341
1-Methanesulfonylpropan-2-amine
CID 54593156
3-(3-Fluoropropylsulfonyl)propan-1-amine
CID 58684153
2-(4-Fluorobutylsulfonyl)ethanamine
CID 58684295

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethylsulfonyl)pentan-2-amine?
The IUPAC name of 5-(fluoromethylsulfonyl)pentan-2-amine (CID 84718787) is 5-(fluoromethylsulfonyl)pentan-2-amine.
What is the SMILES notation for 5-(fluoromethylsulfonyl)pentan-2-amine?
The canonical SMILES for 5-(fluoromethylsulfonyl)pentan-2-amine is CC(N)CCCS(=O)(=O)CF.
What is the InChIKey of 5-(fluoromethylsulfonyl)pentan-2-amine?
The InChIKey is VMSBHMLKBZHNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c1-6(8)3-2-4-11(9,10)5-7/h6H,2-5,8H2,1H3.
What are the key properties of 5-(fluoromethylsulfonyl)pentan-2-amine?
5-(fluoromethylsulfonyl)pentan-2-amine has a molecular weight of 183.25 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethylsulfonyl)pentan-2-amine is sourced from PubChem (CID 84718787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).